MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets

IntroductionIn the rapidly advancing field of ‘omics research, there is an increasing demand for sophisticated bioinformatic tools to enable efficient and consistent data analysis. As biological datasets, particularly metabolomics, become larger and more complex, innovative strategies are essential...

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Main Authors: Jared Lichtarge, Gerarda Cappuccio, Soumya Pati, Alfred Kwabena Dei-Ampeh, Senghong Sing, LiHua Ma, Zhandong Liu, Mirjana Maletic-Savatic
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-01-01
Series:Frontiers in Neuroscience
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Online Access:https://www.frontiersin.org/articles/10.3389/fnins.2024.1520982/full
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author Jared Lichtarge
Gerarda Cappuccio
Gerarda Cappuccio
Soumya Pati
Soumya Pati
Alfred Kwabena Dei-Ampeh
Alfred Kwabena Dei-Ampeh
Senghong Sing
Senghong Sing
Senghong Sing
LiHua Ma
Zhandong Liu
Zhandong Liu
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
author_facet Jared Lichtarge
Gerarda Cappuccio
Gerarda Cappuccio
Soumya Pati
Soumya Pati
Alfred Kwabena Dei-Ampeh
Alfred Kwabena Dei-Ampeh
Senghong Sing
Senghong Sing
Senghong Sing
LiHua Ma
Zhandong Liu
Zhandong Liu
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
author_sort Jared Lichtarge
collection DOAJ
description IntroductionIn the rapidly advancing field of ‘omics research, there is an increasing demand for sophisticated bioinformatic tools to enable efficient and consistent data analysis. As biological datasets, particularly metabolomics, become larger and more complex, innovative strategies are essential for deciphering the intricate molecular and cellular networks.MethodsWe introduce a pioneering analytical approach that combines Principal Component Analysis (PCA) with Graphical Lasso (GLASSO). This method is designed to reduce the dimensionality of large datasets while preserving significant variance. For the first time, we applied the PCA-GLASSO algorithm (i.e., MetaboLINK) to metabolomics data derived from Nuclear Magnetic Resonance (NMR) spectroscopy performed on neural cells at various developmental stages, from human embryonic stem cells to neurons.ResultsThe MetaboLINK analysis of longitudinal metabolomics data has revealed distinct pathways related to amino acids, lipids, and energy metabolism, uniquely associated with specific cell progenies. These findings suggest that different metabolic pathways play a critical role at different stages of cellular development, each contributing to diverse cellular functions.DiscussionOur study demonstrates the efficacy of the MetaboLINK approach in analyzing NMR-based longitudinal metabolomic datasets, highlighting key metabolic shifts during cellular transitions. We share the methodology and the code to advance general ‘omics research, providing a powerful tool for dissecting large datasets in neurobiology and other fields.
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spelling doaj-art-85aacb0478a14fc3917f527123456b802025-01-13T06:11:06ZengFrontiers Media S.A.Frontiers in Neuroscience1662-453X2025-01-011810.3389/fnins.2024.15209821520982MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasetsJared Lichtarge0Gerarda Cappuccio1Gerarda Cappuccio2Soumya Pati3Soumya Pati4Alfred Kwabena Dei-Ampeh5Alfred Kwabena Dei-Ampeh6Senghong Sing7Senghong Sing8Senghong Sing9LiHua Ma10Zhandong Liu11Zhandong Liu12Mirjana Maletic-Savatic13Mirjana Maletic-Savatic14Mirjana Maletic-Savatic15Jan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesCollege of Natural Sciences and Mathematics, University of Houston, Houston, TX, United StatesShared Equipment Authority, Rice University, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesJan and Dan Duncan Neurological Research Institute at Texas Children’s Hospital, Houston, TX, United StatesDepartment of Pediatrics-Neurology, Baylor College of Medicine, Houston, TX, United StatesDepartment of Neuroscience, Baylor College of Medicine, Houston, TX, United StatesIntroductionIn the rapidly advancing field of ‘omics research, there is an increasing demand for sophisticated bioinformatic tools to enable efficient and consistent data analysis. As biological datasets, particularly metabolomics, become larger and more complex, innovative strategies are essential for deciphering the intricate molecular and cellular networks.MethodsWe introduce a pioneering analytical approach that combines Principal Component Analysis (PCA) with Graphical Lasso (GLASSO). This method is designed to reduce the dimensionality of large datasets while preserving significant variance. For the first time, we applied the PCA-GLASSO algorithm (i.e., MetaboLINK) to metabolomics data derived from Nuclear Magnetic Resonance (NMR) spectroscopy performed on neural cells at various developmental stages, from human embryonic stem cells to neurons.ResultsThe MetaboLINK analysis of longitudinal metabolomics data has revealed distinct pathways related to amino acids, lipids, and energy metabolism, uniquely associated with specific cell progenies. These findings suggest that different metabolic pathways play a critical role at different stages of cellular development, each contributing to diverse cellular functions.DiscussionOur study demonstrates the efficacy of the MetaboLINK approach in analyzing NMR-based longitudinal metabolomic datasets, highlighting key metabolic shifts during cellular transitions. We share the methodology and the code to advance general ‘omics research, providing a powerful tool for dissecting large datasets in neurobiology and other fields.https://www.frontiersin.org/articles/10.3389/fnins.2024.1520982/fullmetabolomePCAGlassoMetaboLINKhESCembryonic bodies
spellingShingle Jared Lichtarge
Gerarda Cappuccio
Gerarda Cappuccio
Soumya Pati
Soumya Pati
Alfred Kwabena Dei-Ampeh
Alfred Kwabena Dei-Ampeh
Senghong Sing
Senghong Sing
Senghong Sing
LiHua Ma
Zhandong Liu
Zhandong Liu
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
Mirjana Maletic-Savatic
MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
Frontiers in Neuroscience
metabolome
PCA
Glasso
MetaboLINK
hESC
embryonic bodies
title MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
title_full MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
title_fullStr MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
title_full_unstemmed MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
title_short MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets
title_sort metabolink is a novel algorithm for unveiling cell specific metabolic pathways in longitudinal datasets
topic metabolome
PCA
Glasso
MetaboLINK
hESC
embryonic bodies
url https://www.frontiersin.org/articles/10.3389/fnins.2024.1520982/full
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